(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide

C18H15NO2 — CID 59467578

IUPAC(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide
SMILESO=C(/C=C/C(=O)Nc1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C18H15NO2/c20-17(12-11-15-7-3-1-4-8-15)13-14-18(21)19-16-9-5-2-6-10-16/h1-14H,(H,19,21)/b12-11+,14-13+
InChIKeyDPTSNMKDARZWPD-LDHFCIDVSA-N
MW277.32 g/mol
LogP3.46
Rot. Bonds5

About (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide

(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide (PubChem CID 59467578) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide.

Molecular Properties

Compound Name(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide
PubChem CID59467578
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide
SMILESO=C(/C=C/C(=O)Nc1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C18H15NO2/c20-17(12-11-15-7-3-1-4-8-15)13-14-18(21)19-16-9-5-2-6-10-16/h1-14H,(H,19,21)/b12-11+,14-13+
InChIKeyDPTSNMKDARZWPD-LDHFCIDVSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
1-anilino-5-phenylpenta-1,4-dien-3-one
CID 3796923
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
(Z)-4-oxo-4-[4-[(E)-3-phenylprop-2-enoyl]anilino]but-2-enoic acid
CID 11099271
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
CID 175590215

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide?
The IUPAC name of (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide (CID 59467578) is (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide.
What is the SMILES notation for (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide?
The canonical SMILES for (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide is O=C(/C=C/C(=O)Nc1ccccc1)/C=C/c1ccccc1.
What is the InChIKey of (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide?
The InChIKey is DPTSNMKDARZWPD-LDHFCIDVSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17(12-11-15-7-3-1-4-8-15)13-14-18(21)19-16-9-5-2-6-10-16/h1-14H,(H,19,21)/b12-11+,14-13+.
What are the key properties of (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide?
(2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide has a molecular weight of 277.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-oxo-N,6-diphenylhexa-2,5-dienamide is sourced from PubChem (CID 59467578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).